N-[4-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]anilino]formamide

C₂₅H₂₁ClN₄O₅ — CID 151588460

About N-[4-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]anilino]formamide

N-[4-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]anilino]formamide (PubChem CID 151588460) has the molecular formula C₂₅H₂₁ClN₄O₅ and a molecular weight of 492.92 g/mol. Its IUPAC name is N-[4-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]anilino]formamide.

Molecular Properties

• Compound Name: N-[4-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]anilino]formamide
• PubChem CID: 151588460
• Molecular Formula: C₂₅H₂₁ClN₄O₅
• Molecular Weight: 492.92 g/mol
• Exact Mass: 492.12
• IUPAC Name: N-[4-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]anilino]formamide
• SMILES: COc1cc2nccc(Oc3ccc(NC(=O)N(NC=O)c4ccc(Cl)cc4)cc3)c2cc1OC
• InChI: InChI=1S/C25H21ClN4O5/c1-33-23-13-20-21(14-24(23)34-2)27-12-11-22(20)35-19-9-5-17(6-10-19)29-25(32)30(28-15-31)18-7-3-16(26)4-8-18/h3-15H,1-2H3,(H,28,31)(H,29,32)
• InChIKey: QHZNYOCAXKTICM-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 102.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.92
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]anilino]formamide?

The IUPAC name of N-[4-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]anilino]formamide (CID 151588460) is N-[4-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]anilino]formamide.

What is the SMILES notation for N-[4-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]anilino]formamide?

The canonical SMILES for N-[4-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]anilino]formamide is COc1cc2nccc(Oc3ccc(NC(=O)N(NC=O)c4ccc(Cl)cc4)cc3)c2cc1OC.

What is the InChIKey of N-[4-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]anilino]formamide?

The InChIKey is QHZNYOCAXKTICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O5/c1-33-23-13-20-21(14-24(23)34-2)27-12-11-22(20)35-19-9-5-17(6-10-19)29-25(32)30(28-15-31)18-7-3-16(26)4-8-18/h3-15H,1-2H3,(H,28,31)(H,29,32).

What are the key properties of N-[4-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]anilino]formamide?

N-[4-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]anilino]formamide has a molecular weight of 492.92 g/mol, XLogP of 5.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]anilino]formamide is sourced from PubChem (CID 151588460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151588460 — identifiers, structure, computed properties (public domain)

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